for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
MC-DOXHZN hydrochloride is an albumin-binding prodrug of Doxorubicin with acid-sensitive properties. Doxorubicin is a DNA topoisomerase II inhibitor.
| Canonical Smiles | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O.Cl |
|---|---|
| IUPAC Name | N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide;hydrochloride |
| InChIKey | NGKHWQPYPXRQTM-UKFSEGPMSA-N |
| INCHI | 1S/C37H42N4O13.ClH/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49;/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43);1H/b39-23+;/t17-,20-,22-,27-,32+,37-;/m0./s1 |
| Isomeric SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O.Cl |
| PubChem CID | 10056071 |
| Molecular Weight | 787.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Anthracyclines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthracyclines |
| Alternative Parents | Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones Anisoles Maleimides Alkyl aryl ethers N-substituted carboxylic acid imides Oxanes Vinylogous acids Dicarboximides Tertiary alcohols Pyrrolines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Acetals Polyols Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Monoalkylamines Hydrochlorides Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Amino saccharide - Maleimide - Alkyl aryl ether - Benzenoid - Monosaccharide - Carboxylic acid imide, n-substituted - Oxane - Carboxylic acid imide - Dicarboximide - Tertiary alcohol - Pyrroline - Vinylogous acid - Ketone - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Polyol - Hydrochloride - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary alcohol - Aldehyde - Alcohol - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. |
| External Descriptors | Not available |
| Solubility | Solubility (25°C) In vitro Ethanol: mg/mL |
|---|---|
| Molecular Weight | 787.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 12 |
| Exact Mass | 786.252 Da |
| Monoisotopic Mass | 786.252 Da |
| Topological Polar Surface Area | 268.000 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1510.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
